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The spin resonance clock transition of the endohedral fullerene $^{15}mathrm{N@C}_{60}$

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 Added by Reuben Harding
 Publication date 2017
  fields Physics
and research's language is English
 Authors R. T. Harding




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The endohedral fullerene $^{15}mathrm{N@C}_{60}$ has narrow electron paramagnetic resonance lines which have been proposed as the basis for a condensed-matter portable atomic clock. We measure the low-frequency spectrum of this molecule, identifying and characterizing a clock transition at which the frequency becomes insensitive to magnetic field. We infer a linewidth at the clock field of 100 kHz. Using experimental data, we are able to place a bound on the clocks projected frequency stability. We discuss ways to improve the frequency stability to be competitive with existing miniature clocks.



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112 - R. T. Harding , A. Folli , J. Zhou 2017
We measure the electron spin resonance spectrum of the endohedral fullerene molecule $^{15}mathrm{N@C}_{60}$ at pressures ranging from atmospheric pressure to 0.25 GPa, and find that the hyperfine coupling increases linearly with pressure. We present a model based on van der Waals interactions, which accounts for this increase via compression of the fullerene cage and consequent admixture of orbitals with a larger hyperfine coupling. Combining this model with theoretical estimates of the bulk modulus, we predict the pressure shift and compare it to our experimental results, finding fair agreement given the spread in estimates of the bulk modulus. The spin resonance linewidth is also found to depend on pressure. This is explained by considering the pressure-dependent viscosity of the solvent, which modifies the effect of dipolar coupling between spins within fullerene clusters.
170 - A. Shugai , U. Nagel , Y. Murata 2021
Infrared absorption spectroscopy study of endohedral water molecule in a solid mixture of H$_2$O@C$_{60}$ and C$_{60}$ was carried out at liquid helium temperature. From the evolution of the spectra during the ortho-para conversion process, the spectral lines were identified as para- and ortho-water transitions. Eight vibrational transitions with rotational side peaks were observed in the mid-infrared: $omega_1$, $omega_2$, $omega_3$, $2omega_1$, $2omega_2$, $omega_1 +omega_3$, $omega_2 +omega_3$, and $2omega_2+omega_3$. The vibrational frequencies $omega_2$ and 2$omega_2$ are lower by 1.6% and the rest by 2.4%, as compared to free water/. A model consisting of a rovibrational Hamiltonian with the dipole and quadrupole moments of water interacting with the crystal field was used to fit the infrared absorption spectra. The electric quadrupole interaction with the crystal field lifts the degeneracy of the rotational levels. The finite amplitudes of the pure $v_1$ and $v_2$ vibrational transitions are consistent with the interaction of the water molecule dipole moment with a lattice-induced electric field. The permanent dipole moment of encapsulated water/ is found to be $0.5pm 0.1$ D as determined from the far-infrared rotational line intensities. The translational mode of the quantized center of mass motion of water/ in the molecular cage of C$_{60}$ was observed at 110cm$^{-1}$ (13.6meV).
We solve the quantum-mechanical antiferromagnetic Heisenberg model with spins positioned on vertices of the truncated icosahedron using the density-matrix renormalization group (DMRG). This describes magnetic properties of the undoped C$_{60}$ fullerene at half filling in the limit of strong on-site interaction $U$. We calculate the ground state and correlation functions for all possible distances, the lowest singlet and triplet excited states, as well as thermodynamic properties, namely the specific heat and spin susceptibility. We find that unlike the exactly solvable C$_{20}$ to C$_{32}$, the lowest excited state is a triplet rather than a singlet, indicating a reduced frustration due to the presence of many hexagon faces and the separation of the pentagon faces. This implies that frustration may be tuneable within the fullerenes by changing their size. The spin-spin correlations are much stronger along the hexagon bonds and rapidly decrease with distance, so that the molecule is large enough not to be correlated across its whole extent. The specific heat shows a high-temperature peak and a low-temperature shoulder reminiscent of the Kagome lattice, while the spin susceptibility shows a single broad peak and is very close to the one of C$_{20}$.
130 - H. Ball , W. D. Oliver , 2016
Experimentalists seeking to improve the coherent lifetimes of quantum bits have generally focused on mitigating decoherence mechanisms through, for example, improvements to qubit designs and materials, and system isolation from environmental perturbations. In the case of the phase degree of freedom in a quantum superposition, however, the coherence that must be preserved is not solely internal to the qubit, but rather necessarily includes that of the qubit relative to the master clock (e.g. a local oscillator) that governs its control system. In this manuscript we articulate the impact of instabilities in the master clock on qubit phase coherence, and provide tools to calculate the contributions to qubit error arising from these processes. We first connect standard oscillator phase-noise metrics to their corresponding qubit dephasing spectral densities. We then use representative lab-grade and performance-grade oscillator specifications to calculate operational fidelity bounds on trapped-ion and superconducting qubits with relatively slow and fast operation times. We discuss the relevance of these bounds for quantum error correction in contemporary experiments and future large-scale quantum information systems, and discuss potential means to improve master clock stability.
We report a group of unusually big molecular orbitals in the C60/pentacene complex. Our first-principles density functional calculation shows that these orbitals are very delocalized and cover both C60 and pentacene, which we call superintermolecular orbitals or SIMOs. Their spatial extension can reach 1 nm or larger. Optically, SIMOs are dark. Different from ordinary unoccupied molecular orbitals, SIMOs have a very weak Coulomb and exchange interaction. Their energy levels are very similar to the native superatomic molecular orbitals in C60, and can be approximately characterized by orbital angular momentum quantum numbers. They have a distinctive spatial preference. These features fit the key characters of charge-generation states that channel initially-bound electrons and holes into free charge carriers. Thus, our finding is important for C60/pentacene photovoltaics.
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